REMARK  Name = BDB048296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.902   0.319  -1.967  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        0.958  -0.147  -2.880  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -0.367  -0.341  -2.477  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.763  -0.056  -1.161  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.195   0.435  -0.259  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.520   0.630  -0.661  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.143  -0.255  -0.728  0.00  0.00    +0.202 A 
ATOM      8  N   LIG    1       -2.557   0.014   0.560  0.00  0.00    -0.190 NA
ATOM      9  C   LIG    1       -3.833  -0.294   0.524  0.00  0.00    +0.248 A 
ATOM     10  O   LIG    1       -4.242  -0.737  -0.700  0.00  0.00    -0.336 OA
ATOM     11  N   LIG    1       -3.124  -0.709  -1.527  0.00  0.00    -0.056 NA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.870  -0.215   1.596  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1       -5.425  -1.600   1.927  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -5.931   0.694   1.175  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1       -6.157   0.748   0.189  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -6.760   1.295   2.089  0.00  0.00    +0.211 C 
ATOM     17  O   LIG    1       -6.651   1.145   3.301  0.00  0.00    -0.276 OA
ATOM     18  C   LIG    1       -7.839   2.149   1.481  0.00  0.00    +0.109 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  O   LIG    1        3.179   0.521  -2.438  0.00  0.00    -0.456 OA
BRANCH  19  23
ATOM     20  C   LIG    1        6.442  -0.737  -0.160  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        6.409   0.536  -0.732  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.301   0.937  -1.486  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        4.220   0.074  -1.657  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        4.256  -1.208  -1.109  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        5.363  -1.605  -0.356  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1        8.580  -0.410   0.827  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        7.458  -1.252   0.598  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6